N-(3-chloranyl-4-methyl-phenyl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-9-4-5-10(6-11(9)17)19-12(23)7-22-15(24)13-14(18-8-20(13)2)21(3)16(22)25/h4-6,8H,7H2,1-3H3,(H,19,23)